7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C16H20N6O2 — CID 137018391

IUPAC7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C16H20N6O2/c1-9(2)16-20-14(21-24-16)11-8-18-22-12(7-13(23)19-15(11)22)10-3-5-17-6-4-10/h7-10,17H,3-6H2,1-2H3,(H,19,23)
InChIKeyWKHIPOMJAIDZPX-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.66
Rot. Bonds3

About 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018391) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018391
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C16H20N6O2/c1-9(2)16-20-14(21-24-16)11-8-18-22-12(7-13(23)19-15(11)22)10-3-5-17-6-4-10/h7-10,17H,3-6H2,1-2H3,(H,19,23)
InChIKeyWKHIPOMJAIDZPX-UHFFFAOYSA-N
XLogP1.66
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018391) is 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1.
What is the InChIKey of 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WKHIPOMJAIDZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9(2)16-20-14(21-24-16)11-8-18-22-12(7-13(23)19-15(11)22)10-3-5-17-6-4-10/h7-10,17H,3-6H2,1-2H3,(H,19,23).
What are the key properties of 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 328.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).